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A directed-overflow and damage-control N-glycosidase in riboflavin biosynthesis.
Frelin O, Huang L, Hasnain G, Jeffryes JG, Ziemak MJ, Rocca JR, Wang B, Rice J, Roje S, Yurgel SN, Gregory JF 3rd, Edison AS, Henry CS, de Crécy-Lagard V, Hanson AD. Frelin O, et al. Among authors: wang b. Biochem J. 2015 Feb 15;466(1):137-45. doi: 10.1042/BJ20141237. Biochem J. 2015. PMID: 25431972 Free PMC article.
13C Metabolomics: NMR and IROA for Unknown Identification.
Clendinen CS, Stupp GS, Wang B, Garrett TJ, Edison AS. Clendinen CS, et al. Among authors: wang b. Curr Metabolomics. 2016 Aug;4(2):116-120. doi: 10.2174/2213235X04666160407212156. Curr Metabolomics. 2016. PMID: 28090435 Free PMC article.
The role of quantum mechanics in structure-based drug design.
Raha K, Peters MB, Wang B, Yu N, Wollacott AM, Westerhoff LM, Merz KM Jr. Raha K, et al. Among authors: wang b. Drug Discov Today. 2007 Sep;12(17-18):725-31. doi: 10.1016/j.drudis.2007.07.006. Epub 2007 Aug 31. Drug Discov Today. 2007. PMID: 17826685 Review.
Simulations of allosteric motions in the zinc sensor CzrA.
Chakravorty DK, Wang B, Lee CW, Giedroc DP, Merz KM Jr. Chakravorty DK, et al. Among authors: wang b. J Am Chem Soc. 2012 Feb 22;134(7):3367-76. doi: 10.1021/ja208047b. Epub 2011 Nov 14. J Am Chem Soc. 2012. PMID: 22007899 Free PMC article.
The energy computation paradox and ab initio protein folding.
Faver JC, Benson ML, He X, Roberts BP, Wang B, Marshall MS, Sherrill CD, Merz KM Jr. Faver JC, et al. Among authors: wang b. PLoS One. 2011 Apr 25;6(4):e18868. doi: 10.1371/journal.pone.0018868. PLoS One. 2011. PMID: 21541343 Free PMC article.
AM1 parameters for the prediction of 1H and 13C NMR chemical shifts in proteins.
Williams DE, Peters MB, Wang B, Roitberg AE, Merz KM Jr. Williams DE, et al. Among authors: wang b. J Phys Chem A. 2009 Oct 29;113(43):11550-9. doi: 10.1021/jp9028722. J Phys Chem A. 2009. PMID: 19799435
The methodology adopted here is formally the same as that of the previously published finite perturbation theory GIAO-MNDO-NMR approach [Wang, B.; et al. J. Chem. Phys. 2004, 120, 24.]. The primary impetus for this parametrization was the accurate capture of chemica …
The methodology adopted here is formally the same as that of the previously published finite perturbation theory GIAO-MNDO-NMR approach [ …
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